N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide

C13H19N5O2S — CID 36724137

IUPACN-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1nnc(N2CCC(NS(C)(=O)=O)CC2)c(C#N)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)15-16-13(12(9)8-14)18-6-4-11(5-7-18)17-21(3,19)20/h11,17H,4-7H2,1-3H3
InChIKeyDRATUVWVHCPPQK-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.48
Rot. Bonds3

About N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide

N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 36724137) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
PubChem CID36724137
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
SMILESCc1nnc(N2CCC(NS(C)(=O)=O)CC2)c(C#N)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)15-16-13(12(9)8-14)18-6-4-11(5-7-18)17-21(3,19)20/h11,17H,4-7H2,1-3H3
InChIKeyDRATUVWVHCPPQK-UHFFFAOYSA-N
XLogP0.48
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide (CID 36724137) is N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide is Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)c(C#N)c1C.
What is the InChIKey of N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is DRATUVWVHCPPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-10(2)15-16-13(12(9)8-14)18-6-4-11(5-7-18)17-21(3,19)20/h11,17H,4-7H2,1-3H3.
What are the key properties of N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 36724137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).